CAS 615-62-3 3-Chloro-4-methylphenol (HCID 14853)

Names & identifiers

Preferred name: 3-Chloro-4-methylphenol
IUPAC: 3-chloro-4-methylphenol
English name: 3-Chloro-4-methylphenol
Molecular formula: C7H7ClO
Molecular weight: 142.58

Names & synonyms

3-Chloro-4-methylphenol615-62-3Phenol, 3-chloro-4-methyl-EINECS 210-439-1NSC 157351DTXSID9060655RefChem:93443DTXCID4043064VQZRLBWPEHFGCD-UHFFFAOYSA-N3-Chloro-p-cresolp-Cresol, 3-chloro-3-chloro-4-methyl-phenol

Show more names

2-Chloro-4-hydroxytoluene3-Chloro-4-methylphenol 98%3-Chloro-4-methylphenol, CAS 615-62-32-Chloro-4-hydroxytoluene, 3-Chloro-p-cresol

MFCD0006031947HY68GZ7QNSC-157351NSC157351UNII-47HY68GZ7QSCHEMBL305945SCHEMBL1379775SCHEMBL2841487

Database identifiers

CAS: 615-62-3
PubChem CID: 14853
DTXSID: DTXSID9060655
UNII: 47HY68GZ7Q
EC Number: 210-439-1
Nikkaji: J95.369E

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94

Physicochemical properties

Melting point: 48 · 48-53 °C
Boiling point: 228 °C · 228 °C
Density: 0 · 0,963g/cm
refractive index: 1 · 1,403
Flash point: 228 °C · 228°C
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Methanol
form: powder to lump
pka: 9.3 · 9.30±0.18(Predicted)
color: Light yellow to Amber to Dark green
λmax: 283 nm · 283nm(H2O)(lit.)
InChI: InChI=1S/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
InChIKey: VQZRLBWPEHFGCD-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(C)C(Cl)=C1
CAS DataBase Reference: 615 · 615-62-3(CAS DataBase Reference)
FDA UNII: 47 HY68GZ7Q · 47HY68GZ7Q
EPA Substance Registry System: 3 · Phenol, 3-chloro-4-methyl- (615-62-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H315-H318-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: C,T,Xi,Xn
Risk Statements: 20 · 20/21/22-36/37/38-38-21/22-41-37/38
Safety Statements: 23 · 23-36/37/39-28-26-39
RIDADR: 3437 · 3437
WGK Germany: 3 · 3
Hazard Note: Toxic/Corrosive
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29089990 · 29089990
Storage Class: 13 · 13 - Non Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (98%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (98%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (98%)；Acute Tox. 4 (98%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (98%)；Acute Tox. 4 (98%)；STOT SE 3 (98%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
ridadr: 3437
hs_code: 29089990
risk_code: 20/21/22-36/37/38-38-21/22-41-37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,T,Xi,Xn
hazard_note: Toxic/Corrosive
safety_code: 23-36/37/39-28-26-39
hazard_class: 6.1
Storage Class: 13 - Non Combustible Solids
packing_group: II
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H318-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338